1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C41H26N4 — CID 139342063

IUPAC1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C41H26N4/c1-3-14-27(15-4-1)39-42-40(44-41(43-39)36-26-28-16-7-8-19-30(28)31-20-9-10-21-32(31)36)35-24-13-23-34-33-22-11-12-25-37(33)45(38(34)35)29-17-5-2-6-18-29/h1-26H
InChIKeyVKJTZYKGTPSQNX-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.28
Rot. Bonds4

About 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole

1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 139342063) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID139342063
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C41H26N4/c1-3-14-27(15-4-1)39-42-40(44-41(43-39)36-26-28-16-7-8-19-30(28)31-20-9-10-21-32(31)36)35-24-13-23-34-33-22-11-12-25-37(33)45(38(34)35)29-17-5-2-6-18-29/h1-26H
InChIKeyVKJTZYKGTPSQNX-UHFFFAOYSA-N
XLogP10.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807774
3-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139342070
5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 139342074
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598155
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
1-[3-[4-phenanthren-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807754
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729227
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588
11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 155474221
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
2-carbazol-9-yl-5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477424

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 139342063) is 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is VKJTZYKGTPSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-14-27(15-4-1)39-42-40(44-41(43-39)36-26-28-16-7-8-19-30(28)31-20-9-10-21-32(31)36)35-24-13-23-34-33-22-11-12-25-37(33)45(38(34)35)29-17-5-2-6-18-29/h1-26H.
What are the key properties of 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 574.69 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 139342063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).